• Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures 

      Hammer, Morten; Bauer, Gernot; Stierle, Rolf; Gross, Joachim; Wilhelmsen, Øivind (Peer reviewed; Journal article, 2023)
      The DFT is developed to study the interfacial properties of hydrogen, helium, neon, deuterium and their mixtures, i.e. fluids that are strongly influenced by quantum effects at low temperatures. White Bear fundamental ...
    • Equation of state for confined fluids 

      Bråten, Vilde; Zhang, Daniel Tianhou; Hammer, Morten; Aasen, Ailo; Schnell, Sondre Kvalvåg; Wilhelmsen, Øivind (Peer reviewed; Journal article, 2022)
      Fluids confined in small volumes behave differently than fluids in bulk systems. For bulk systems, a compact summary of the system's thermodynamic properties is provided by equations of state. However, there is currently ...
    • Free energy of critical droplets - From the binodal to the spinodal 

      Aasen, Ailo; Wilhelmsen, Øivind; Hammer, Morten; Reguera, David (Peer reviewed; Journal article, 2023)
      Arguably, the main challenge of nucleation theory is to accurately evaluate the work of formation of a critical embryo in the new phase, which governs the nucleation rate. In Classical Nucleation Theory (CNT), this work ...
    • Mie–FH: A quantum corrected pair potential in the LAMMPS simulation package for hydrogen mixtures 

      Trinh, Thuat T.; Hammer, Morten; Sharma, V.; Wilhelmsen, Øivind (Journal article; Peer reviewed, 2024)
      Several knowledge gaps on the properties and behavior of hydrogen must be closed to realize its widespread use as a clean fuel and reduction agent. A challenge in this regard is that hydrogen and its mixtures are influenced ...
    • Thermodynamic properties of the 3D Lennard-Jones/spline model 

      Hafskjold, Bjørn; Travis, Karl; Bailey, Amanda H.; Hammer, Morten; Aasen, Ailo; Wilhelmsen, Øivind (Peer reviewed; Journal article, 2019)
      In the Lennard-Jones spline (LJ/s) model, the Lennard-Jones (LJ) potential is truncated and splined so that both the pair potential and the force continuously approach zero at rc ≈ 1.74σ. It exhibits the same structural ...